3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one

C10H10FNO — CID 83752744

IUPAC3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESNC1CC(=O)c2cccc(F)c2C1
InChIInChI=1S/C10H10FNO/c11-9-3-1-2-7-8(9)4-6(12)5-10(7)13/h1-3,6H,4-5,12H2
InChIKeyDDTWYJNARLCIPQ-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.28
Rot. Bonds

About 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one

3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 83752744) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID83752744
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESNC1CC(=O)c2cccc(F)c2C1
InChIInChI=1S/C10H10FNO/c11-9-3-1-2-7-8(9)4-6(12)5-10(7)13/h1-3,6H,4-5,12H2
InChIKeyDDTWYJNARLCIPQ-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one (CID 83752744) is 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one is NC1CC(=O)c2cccc(F)c2C1.
What is the InChIKey of 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DDTWYJNARLCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-3-1-2-7-8(9)4-6(12)5-10(7)13/h1-3,6H,4-5,12H2.
What are the key properties of 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 179.19 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 83752744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).